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Mechanochemical Synthesis of an Ionic Cocrystal with Large Birefringence Resulting from Neutral Planar π-Conjugated Groups
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2020-11-10 , DOI: 10.1021/acs.cgd.0c01163
Xianghe Meng 1, 2 , Kaijin Kang 3 , Youquan Liu 1, 2 , Jian Tang 3 , Xingxing Jiang 1 , Wenlong Yin 3 , Zheshuai Lin 1 , Mingjun Xia 1, 2
Affiliation  

Birefringent materials with strong optical anisotropy are indispensable for optoelectronic devices as polarizers, isolators, and beam splitters, etc. Here, a new ionic cocrystal KBr·H3C3N3O3 (I) was synthesized by a facile and fast mechanochemical reaction. I can be described as stacking of [(H3C3N3O3)Br] layers via hydrogen bonds separated by K+ cations along the a-axis. The experimental and theoretical results reveal that I exhibits a short ultraviolet cutoff (216 nm) and large birefringence (Δn = 0.273 at 800 nm) due to the well-aligned planar π-conjugated H3C3N3O3 molecules. In addition, I is thermally stable up to 400 °C, far higher than those of reported hydroisocyanurates. This work opens an avenue for the exploration for ionic cocrystals with π-conjugated units as prominent ultraviolet birefringent materials with strong optical anisotropy, wide band gap, easy synthesis, and good physicochemistry stability.

中文翻译:

中性平面π共轭基团导致双折射大的离子共晶体的机械化学合成

具有强光学各向异性的双折射材料对于光电子设备如偏振器,隔离器和分束器等是必不可少的。在此,通过简便快速的机械化学反应合成了新的离子共晶体KBr·H 3 C 3 N 3 O 3I) 。可以被描述为堆叠[(H 3 C ^ 3 Ñ 3 ö 3)BR] -通过氢键分离各层用K +沿着阳离子一个轴。实验和理论结果表明,由于良好排列的平面π共轭H 3 C 3 N 3 O 3分子排列整齐,所以具有短的紫外线截止(216 nm)和大的双折射(800 nm下的Δn = 0.273)。此外,I在高达400°C的温度下仍具有热稳定性,远高于已报道的氢异氰脲酸酯。这项工作为探索具有π共轭单元的离子共晶体作为一种重要的紫外双折射材料提供了一条途径,该材料具有强的光学各向异性,宽带隙,易于合成和良好的物理化学稳定性。
更新日期:2020-12-02
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